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733748-94-2 | 3-Cyclopentene-1,2-dicarboxylicacid, (1S,2S)-
CAS No: 733748-94-2 Catalog No: AG005EJJ MDL No:
Product Description
Catalog Number:
AG005EJJ
Chemical Name:
3-Cyclopentene-1,2-dicarboxylicacid, (1S,2S)-
CAS Number:
733748-94-2
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
(1S,2S)-cyclopent-3-ene-1,2-dicarboxylic acid
InChI:
InChI=1S/C7H8O4/c8-6(9)4-2-1-3-5(4)7(10)11/h1-2,4-5H,3H2,(H,8,9)(H,10,11)/t4-,5-/m0/s1
InChI Key:
IBSNFLVUBSCLPL-WHFBIAKZSA-N
SMILES:
OC(=O)[C@H]1C=CC[C@@H]1C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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