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27593-18-6 | 1-Cyclopentene-1-carboxylic acid, 2,5,5-trimethyl-
CAS No: 27593-18-6 Catalog No: AG002U67 MDL No:
Product Description
Catalog Number:
AG002U67
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 2,5,5-trimethyl-
CAS Number:
27593-18-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
2,5,5-trimethylcyclopentene-1-carboxylic acid
InChI:
InChI=1S/C9H14O2/c1-6-4-5-9(2,3)7(6)8(10)11/h4-5H2,1-3H3,(H,10,11)
InChI Key:
JWSOLUOQJFATDI-UHFFFAOYSA-N
SMILES:
CC1=C(C(=O)O)C(CC1)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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