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1321-30-8 | 1-Propene-1,2,3-tricarboxylic acid, monoethyl ester
CAS No: 1321-30-8 Catalog No: AG00107L MDL No:
Product Description
Catalog Number:
AG00107L
Chemical Name:
1-Propene-1,2,3-tricarboxylic acid, monoethyl ester
CAS Number:
1321-30-8
Molecular Formula:
C8H8O6--
Molecular Weight:
200.1455
IUPAC Name:
2-(2-ethoxy-2-oxoethylidene)butanedioic acid
InChI:
InChI=1S/C8H10O6/c1-2-14-7(11)4-5(8(12)13)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,12,13)
InChI Key:
ANIDMCPGEUWERH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(C(=O)[O-])CC(=O)[O-]
FEMA Number:
2417
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.162g/mol
Monoisotopic Mass:
202.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
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