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10036-24-5 | Cyclohexanepropanoic acid, 3-carboxy-
CAS No: 10036-24-5 Catalog No: AG0001PA MDL No:
Product Description
Catalog Number:
AG0001PA
Chemical Name:
Cyclohexanepropanoic acid, 3-carboxy-
CAS Number:
10036-24-5
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
3-(2-carboxyethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H16O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChI Key:
VRXSMNXZGRVEJL-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1CCCC(C1)C(=O)O
NSC Number:
125571
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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