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10268-12-9 | Benzeneacetic acid, 3-nitro-, methyl ester
CAS No: 10268-12-9 Catalog No: AG00083P MDL No:MFCD08669939
Product Description
Catalog Number:
AG00083P
Chemical Name:
Benzeneacetic acid, 3-nitro-, methyl ester
CAS Number:
10268-12-9
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD08669939
IUPAC Name:
methyl 2-(3-nitrophenyl)acetate
InChI:
InChI=1S/C9H9NO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3
InChI Key:
BFGYITRIATVARH-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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