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16110-98-8 | 2-Butenedioic acid, 2-phenyl-, (2Z)-
CAS No: 16110-98-8 Catalog No: AG001S6H MDL No:MFCD01075740
Product Description
Catalog Number:
AG001S6H
Chemical Name:
2-Butenedioic acid, 2-phenyl-, (2Z)-
CAS Number:
16110-98-8
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD01075740
IUPAC Name:
(Z)-2-phenylbut-2-enedioic acid
InChI:
InChI=1S/C10H8O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)/b8-6-
InChI Key:
CQNPSIAJXGEDQS-VURMDHGXSA-N
SMILES:
OC(=O)/C(=C\C(=O)O)/c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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