AI41097
1820748-72-8 | 1,3-Benzodioxole-4-carbaldehyde O-methyloxime
Manufacturer: A2B Chem
CAS Number: 1820748-72-8
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Catalog Number
AI41097
Chemical Name
1,3-Benzodioxole-4-carbaldehyde O-methyloxime
Cas Number
1820748-72-8
Molecular Formula
C9H9NO3
Molecular Weight
179.1727
Mdl Number
MFCD29922258
Smiles
CON=Cc1cccc2c1OCO2
Complexity
195
Covalently-Bonded Unit Count
1
Defined Bond Stereocenter Count
1
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Xlogp3
1.8
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| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Benzo[d][1,3]dioxole-4-carbaldehyde O-methyl oxime | ChemScene | -- |
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Catalog Number: AI41097
Chemical Name: 1,3-Benzodioxole-4-carbaldehyde O-methyloxime
Cas Number: 1820748-72-8
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727
Mdl Number: MFCD29922258
Smiles: CON=Cc1cccc2c1OCO2
Complexity: 195
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: 1
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 2
Xlogp3: 1.8
Catalog Number:
AI41097
Chemical Name:
1,3-Benzodioxole-4-carbaldehyde O-methyloxime
Cas Number:
1820748-72-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Mdl Number:
MFCD29922258
Smiles:
CON=Cc1cccc2c1OCO2
Complexity:
195
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Xlogp3:
1.8
Catalog Number: AI41098
Chemical Name: 2-[(Thiazolidin-2-ylidene)aminomethylidene]malonic acid
Cas Number: 1820748-73-9
Molecular Formula: C7H8N2O4S
Molecular Weight: 216.2144
Mdl Number: MFCD27981331
Smiles: OC(=O)C(=C/N=C1/NCCS1)C(=O)O
Complexity: 308
Covalently-Bonded Unit Count: 1
Defined Bond Stereocenter Count: __
Heavy Atom Count: 14
Hydrogen Bond Acceptor Count: 6
Rotatable Bond Count: 4
Xlogp3: 0.7
Catalog Number:
AI41098
Chemical Name:
2-[(Thiazolidin-2-ylidene)aminomethylidene]malonic acid
Cas Number:
1820748-73-9
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
Mdl Number:
MFCD27981331
Smiles:
OC(=O)C(=C/N=C1/NCCS1)C(=O)O
Complexity:
308
Covalently-Bonded Unit Count:
1
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Xlogp3:
0.7
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: CCOC(=O)C(=NN)c1c(F)cccc1Br
Complexity: 286
Covalently-Bonded Unit Count: __
Defined Bond Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 3.3
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
CCOC(=O)C(=NN)c1c(F)cccc1Br
Complexity:
286
Covalently-Bonded Unit Count:
__
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
3.3
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: N/N=C/c1cc(F)ccc1F
Complexity: 149
Covalently-Bonded Unit Count: __
Defined Bond Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 1.5
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
N/N=C/c1cc(F)ccc1F
Complexity:
149
Covalently-Bonded Unit Count:
__
Defined Bond Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
1.5