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76374-10-2 | 4-Cyclopentene-1,3-diacetic acid, cis-
CAS No: 76374-10-2 Catalog No: AG005DYK MDL No:
Product Description
Catalog Number:
AG005DYK
Chemical Name:
4-Cyclopentene-1,3-diacetic acid, cis-
CAS Number:
76374-10-2
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
2-[(1S,4R)-4-(carboxymethyl)cyclopent-2-en-1-yl]acetic acid
InChI:
InChI=1S/C9H12O4/c10-8(11)4-6-1-2-7(3-6)5-9(12)13/h1-2,6-7H,3-5H2,(H,10,11)(H,12,13)/t6-,7+
InChI Key:
IUKIBBYUNMQGCJ-KNVOCYPGSA-N
SMILES:
OC(=O)C[C@@H]1C=C[C@@H](C1)CC(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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