Home Carboxys propene-1,2,3-tricarboxylic acid

propene-1,2,3-tricarboxylic acid

CAS No.:
499-12-7
Catalog Number:
AG00DBOV
Molecular Formula:
C6H6O6
Molecular Weight:
174.1082
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Product Description
Catalog Number:
AG00DBOV
Chemical Name:
propene-1,2,3-tricarboxylic acid
CAS Number:
499-12-7
Molecular Formula:
C6H6O6
Molecular Weight:
174.1082
MDL Number:
MFCD00063184
IUPAC Name:
(Z)-prop-1-ene-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChI Key:
GTZCVFVGUGFEME-IWQZZHSRSA-N
SMILES:
OC(=O)CC(=CC(=O)O)C(=O)O
UNII:
OF5471ZHRR
FEMA Number:
2010
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
174.016g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
174.108g/mol
Monoisotopic Mass:
174.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
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Properties