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130708-70-2 | 1,3-Cyclopentadiene-1,3-dicarboxylic acid
CAS No: 130708-70-2 Catalog No: AG000UTS MDL No:
Product Description
Catalog Number:
AG000UTS
Chemical Name:
1,3-Cyclopentadiene-1,3-dicarboxylic acid
CAS Number:
130708-70-2
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
IUPAC Name:
cyclopenta-1,3-diene-1,3-dicarboxylic acid
InChI:
InChI=1S/C7H6O4/c8-6(9)4-1-2-5(3-4)7(10)11/h1,3H,2H2,(H,8,9)(H,10,11)
InChI Key:
SBNWOLOYXPPBMG-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCC(=C1)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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