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13668-61-6 | 2-(Cyclopent-2-en-1-yl)acetic acid
CAS No: 13668-61-6 Catalog No: AG00128B MDL No:MFCD00001400
Product Description
Catalog Number:
AG00128B
Chemical Name:
2-(Cyclopent-2-en-1-yl)acetic acid
CAS Number:
13668-61-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00001400
IUPAC Name:
2-cyclopent-2-en-1-ylacetic acid
InChI:
InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)
InChI Key:
NNRZTJAACCRFRV-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCC=C1
EC Number:
237-146-1
NSC Number:
60126
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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