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37904-04-4 | (2Z)-3-[(4-iodo-2-methylphenyl)carbamoyl]prop-2-enoic acid
CAS No: 37904-04-4 Catalog No: AG00VS6Y MDL No:MFCD00452549
Product Description
Catalog Number:
AG00VS6Y
Chemical Name:
(2Z)-3-[(4-iodo-2-methylphenyl)carbamoyl]prop-2-enoic acid
CAS Number:
37904-04-4
Molecular Formula:
C11H10INO3
Molecular Weight:
331.1065
MDL Number:
MFCD00452549
IUPAC Name:
4-(4-iodo-2-methylanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10INO3/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)
InChI Key:
LTVGRMWGWKEUHQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1C)I)/C=C\C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.109g/mol
Monoisotopic Mass:
330.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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