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889-10-1 | Butanedioic acid,2-[(4-methoxyphenyl)methylene]-
CAS No: 889-10-1 Catalog No: AG00496O MDL No:MFCD01845562
Product Description
Catalog Number:
AG00496O
Chemical Name:
Butanedioic acid,2-[(4-methoxyphenyl)methylene]-
CAS Number:
889-10-1
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD01845562
IUPAC Name:
2-[(4-methoxyphenyl)methylidene]butanedioic acid
InChI:
InChI=1S/C12H12O5/c1-17-10-4-2-8(3-5-10)6-9(12(15)16)7-11(13)14/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChI Key:
HZRZZPNSLQASGS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C(C(=O)O)CC(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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