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88015-91-2 | Carbamic acid, (3-methoxyphenyl)-, 5-oxo-3-pyrrolidinyl ester
CAS No: 88015-91-2 Catalog No: AG004NV5 MDL No:
Product Description
Catalog Number:
AG004NV5
Chemical Name:
Carbamic acid, (3-methoxyphenyl)-, 5-oxo-3-pyrrolidinyl ester
CAS Number:
88015-91-2
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
(5-oxopyrrolidin-3-yl) N-(3-methoxyphenyl)carbamate
InChI:
InChI=1S/C12H14N2O4/c1-17-9-4-2-3-8(5-9)14-12(16)18-10-6-11(15)13-7-10/h2-5,10H,6-7H2,1H3,(H,13,15)(H,14,16)
InChI Key:
TYVVBVLPLUXVGH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)OC1CNC(=O)C1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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