COC(=O)[C@H]1CC[C@H](C(=O)O)CC1
CAS: 32529-79-6
الاسم: 4-methoxycarbonylcyclohexane-1-carboxylic acid
SMILES: COC(=O)[C@H]1CC[C@H](C(=O)O)CC1

Molecular Processing

Molecular formula
C9H14O4
Molecular weight
186.21
Exact mass
186.0892
XLogP
1.05
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
45.1

Supplementary Information

InChIKey: ZQJNPHCQABYENK-UHFFFAOYSA-N
مرادفات
32529-79-64-(methoxycarbonyl)cyclohexane-1-carboxylic acid(1r,4r)-4-(methoxycarbonyl)cyclohexanecarboxylic acidMonomethyl trans-1,4-CyclohexanedicarboxylateDTXSID00905945RefChem:516260DTXCID201335046640-525-8688-950-8927-226-015177-67-0TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER1011-85-4cis-4-(Methoxycarbonyl)cyclohexanecarboxylic acid4-(methoxycarbonyl)cyclohexanecarboxylic acidtrans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid4-Carbomethoxy-cyclohexane-1-carboxylic acid(1r,4r)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acidcis-4-Carbomethoxycyclohexane-1-carboxylic acid4-methoxycarbonylcyclohexanecarboxylic acidMFCD01311246MFCD01311247MFCD067975614-methoxycarbonylcyclohexane-1-carboxylic acidtrans-4-carbomethoxycyclohexane-1-carboxylic acid(1s,4s)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acidTrans-1,4-Cyclohexane dicarboxylic acid monomethyl ester1,4-Cyclohexanedicarboxylic acid monomethyl estertrans-1,4-Cyclohexanedicarboxylic acid monomethylesterMethyl Hydrogen trans-1,4-Cyclohexanedicarboxylate
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