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Home > Nitro Compounds > 88310-37-6
88310-37-6 | Carbamic acid, 1-propenyl-, 4-nitrophenyl ester
CAS No: 88310-37-6 Catalog No: AG004905 MDL No:
Product Description
Catalog Number:
AG004905
Chemical Name:
Carbamic acid, 1-propenyl-, 4-nitrophenyl ester
CAS Number:
88310-37-6
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
IUPAC Name:
(4-nitrophenyl) N-prop-1-enylcarbamate
InChI:
InChI=1S/C10H10N2O4/c1-2-7-11-10(13)16-9-5-3-8(4-6-9)12(14)15/h2-7H,1H3,(H,11,13)
InChI Key:
LNODAWRGNQMYTI-UHFFFAOYSA-N
SMILES:
CC=CNC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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