CAS: 627-91-8
名称: 6-methoxy-6-oxohexanoic acid
SMILES:
COC(=O)CCCCC(=O)OMolecular Processing
Molecular formula
C7H12O4
Molecular weight
160.17
Exact mass
160.0736
XLogP
0.8
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
38.12
Supplementary Information
InChIKey: UOBSVARXACCLLH-UHFFFAOYSA-N
同義語
Monomethyl adipate627-91-86-Methoxy-6-oxohexanoic acidMethyl hydrogen adipateAdipic acid monomethyl esterMethyl hemiadipateAdipic acid, monomethyl esterHexanedioic acid, monomethyl ester5-Carbomethoxypentanoic acidMonomethyl 1,6-hexanedioateMethyl 5-carboxypentanoateHexanedioic acid, 1-methyl esterDTXSID9044451NSC 9389Methyl hexanedioateNSC 551131-methyl ester Hexanedioic acid62S39VHD01NSC-9389EINECS 211-019-0NSC-55113Adipic acid, monomethyl ester (8CI)AI3-01772DTXCID7024451CHEBI:70855ADIPIC ACID, METHYL ESTERMethyl 5carboxypentanoateRefChem:8193295Carbomethoxypentanoic acidMonomethyl 1,6hexanedioate
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