3-Propylheptanoic acid

HCID 15420657

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Basic information

CAS: 96185-13-6
Standard SMILES: CCCCC(CCC)CC(=O)O
InChIKey: GTZIRUJXPHARLG-UHFFFAOYSA-N
Molecular formula: C10H20O2
Average molar mass: 172.26 g/mol
Monoisotopic mass: 172.14632988

Names & identifiers

Preferred name: 3-Propylheptanoic acid
IUPAC: 3-propylheptanoic acid
English name: 3-PROPYLHEPTANOIC ACID
Molecular formula: C10H20O2
Molecular weight: 172.26

Names & synonyms

3-PROPYLHEPTANOIC ACID96185-13-6DTXSID00572616RefChem:281961DTXCID80523388Heptanoic acid,3-propyl-3n-propyl h e ptanoic acidSCHEMBL1251084SCHEMBL29002874GTZIRUJXPHARLG-UHFFFAOYSA-NAKOS006276318

Database identifiers

CAS: 96185-13-6
PubChem CID: 15420657
DTXSID: DTXSID00572616
Nikkaji: J1.947.452F

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 121

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Phosphonic acid, P-[(2E)-1-[(trimethylsilyl)oxy]-2-hexen-1-yl]-, diethyl ester 1-Iodobutane TRANS-2-HEXENAL

Suppliers1 total

成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]

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Compound notes

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