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Home > Nitro Compounds > 127791-55-3
127791-55-3 | 2-Propenoic acid, 3-(4-methyl-3-nitrophenyl)-, (E)- (9CI)
CAS No: 127791-55-3 Catalog No: AG000XFB MDL No:MFCD03002798
Product Description
Catalog Number:
AG000XFB
Chemical Name:
2-Propenoic acid, 3-(4-methyl-3-nitrophenyl)-, (E)- (9CI)
CAS Number:
127791-55-3
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD03002798
IUPAC Name:
(E)-3-(4-methyl-3-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9NO4/c1-7-2-3-8(4-5-10(12)13)6-9(7)11(14)15/h2-6H,1H3,(H,12,13)/b5-4+
InChI Key:
BDDPVHVBYYSHBM-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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