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100378-73-2 | 1-Cyclopentene-1-acetic acid, 2-carboxy-
CAS No: 100378-73-2 Catalog No: AG0001T7 MDL No:
Product Description
Catalog Number:
AG0001T7
Chemical Name:
1-Cyclopentene-1-acetic acid, 2-carboxy-
CAS Number:
100378-73-2
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
2-(carboxymethyl)cyclopentene-1-carboxylic acid
InChI:
InChI=1S/C8H10O4/c9-7(10)4-5-2-1-3-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12)
InChI Key:
GGUWKYTULMYBGK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=C(CCC1)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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