CAS: 109-52-4
이름: pentanoic acid
SMILES:
CCCCC(=O)OMolecular Processing
Molecular formula
C5H10O2
Molecular weight
102.13
Exact mass
102.0681
XLogP
1.26
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
27.16
Supplementary Information
InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
동의어
Valeric acidPENTANOIC ACID109-52-4n-Valeric acidn-Pentanoic acidValerianic acid1-Butanecarboxylic acidPropylacetic acidButanecarboxylic acidKyselina valerovan-PentanoateValeric acid, normalFEMA No. 3101DTXSID7021655GZK92PJM7BNSC-406833DTXCID801655CHEBI:17418RefChem:6342203-677-2Pentanoatepentoic acidVALERIC ACID, N-1-pentanoic acidKyselina valerova [Czech]Valeriansaeuren-ValerateMFCD00004413NSC 406833Pentanoic acid-1-13C
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