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820236-44-0 | 1-Cyclopentene-1-carboxylicacid, 3-(1-methylethyl)-
CAS No: 820236-44-0 Catalog No: AG004Y8C MDL No:
Product Description
Catalog Number:
AG004Y8C
Chemical Name:
1-Cyclopentene-1-carboxylicacid, 3-(1-methylethyl)-
CAS Number:
820236-44-0
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
3-propan-2-ylcyclopentene-1-carboxylic acid
InChI:
InChI=1S/C9H14O2/c1-6(2)7-3-4-8(5-7)9(10)11/h5-7H,3-4H2,1-2H3,(H,10,11)
InChI Key:
ZOJNVEUQIANRJF-UHFFFAOYSA-N
SMILES:
CC(C1CCC(=C1)C(=O)O)C
Properties
Complexity:
192
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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