AB45321

1071-73-4 | 3-Acetyl-1-propanol

Manufacturer: A2B Chem

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CatalogNumber

AB45321

ChemicalName

3-Acetyl-1-propanol

CasNumber

1071-73-4

MolecularFormula

C5H10O2

MolecularWeight

102.1317

MdlNumber

MFCD00002961

Smiles

OCCCC(=O)C

Complexity

59.1

Covalently-bondedUnitCount

1

HeavyAtomCount

7

HydrogenBondAcceptorCount

2

HydrogenBondDonorCount

1

RotatableBondCount

3

Xlogp3

-0.4

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A2B Chem

AB45321

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CatalogNumber:
AB45321

ChemicalName:
3-Acetyl-1-propanol

CasNumber:
1071-73-4

MolecularFormula:
C5H10O2

MolecularWeight:
102.1317

MdlNumber:
MFCD00002961

Smiles:
OCCCC(=O)C

Complexity:
59.1

Covalently-bondedUnitCount:
1

HeavyAtomCount:
7

HydrogenBondAcceptorCount:
2

HydrogenBondDonorCount:
1

RotatableBondCount:
3

Xlogp3:
-0.4

Img

A2B Chem

AB45322

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CatalogNumber:
AB45322

ChemicalName:
2-Amino-5-hydroxybenzoic acid

CasNumber:
394-31-0

MolecularFormula:
C7H7NO3

MolecularWeight:
153.1354

MdlNumber:
MFCD00007870

Smiles:
Oc1ccc(c(c1)C(=O)O)N

Complexity:
160

Covalently-bondedUnitCount:
1

HeavyAtomCount:
11

HydrogenBondAcceptorCount:
4

HydrogenBondDonorCount:
3

RotatableBondCount:
1

Xlogp3:
0.6

Img

A2B Chem

AB45323

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CatalogNumber:
AB45323

ChemicalName:
5-Hydroxymethyl-2-furancarboxylic acid

CasNumber:
6338-41-6

MolecularFormula:
C6H6O4

MolecularWeight:
142.1094

MdlNumber:
MFCD03274472

Smiles:
OCc1ccc(o1)C(=O)O

Complexity:
134

Covalently-bondedUnitCount:
1

HeavyAtomCount:
10

HydrogenBondAcceptorCount:
4

HydrogenBondDonorCount:
2

RotatableBondCount:
2

Xlogp3:
__

Img

A2B Chem

AB45324

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CatalogNumber:
AB45324

ChemicalName:
5-Hydroxymethyl-2-furaldehyde

CasNumber:
67-47-0

MolecularFormula:
C6H6O3

MolecularWeight:
126.11

MdlNumber:
MFCD00003234

Smiles:
OCc1ccc(o1)C=O

Complexity:
103

Covalently-bondedUnitCount:
1

HeavyAtomCount:
9

HydrogenBondAcceptorCount:
3

HydrogenBondDonorCount:
1

RotatableBondCount:
2

Xlogp3:
-0.6