CAS: 4771-80-6
名称: cyclohex-3-ene-1-carboxylic acid
SMILES:
C1CC(CC=C1)C(=O)OMolecular Processing
Molecular formula
C7H10O2
Molecular weight
126.15
Exact mass
126.0681
XLogP
1.43
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
34.12
Supplementary Information
InChIKey: VUSWCWPCANWBFG-UHFFFAOYSA-N
同義語
4771-80-63-Cyclohexene-1-carboxylic acidDTXSID40871099RefChem:93583DTXCID30818771225-314-73-CYCLOHEXENECARBOXYLIC ACIDCyclohex-3-ene-1-carboxylic acidcyclohex-3-enecarboxylic acid1-Cyclohexene-4-carboxylic acid1,2,3,6-Tetrahydrobenzoic acid3-cyclohexenylcarboxylic acidNSC 44712NSC 44883Kyselina 1,2,5,6-tetrahydrobenzoova3-cyclohexene carboxylic acid.DELTA.3-Cyclohexenecarboxylic acid.DELTA.3-Cyclohexenylcarboxylic acidMFCD00013781WLN: L6UTJ DVQdelta3-Cyclohexenylcarboxylic acidEINECS 225-314-7BRN 1617723(S)-3-Cyclohexenecarboxylic acidAI3-32141Kyselina 1,2,5,6-tetrahydrobenzoova [Czech](S)-(+)-3-Cyclohexenecarboxylic acid4-cyclohexenecarboxylic acidcyclohex-3-enecarboxylicacidSCHEMBL91180
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