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2503-29-9 | Carbamic acid, N-(2-amino-1-methyl-2-oxoethyl)-, phenylmethyl ester
CAS No: 2503-29-9 Catalog No: AG002Q87 MDL No:MFCD00136699
Product Description
Catalog Number:
AG002Q87
Chemical Name:
Carbamic acid, N-(2-amino-1-methyl-2-oxoethyl)-, phenylmethyl ester
CAS Number:
2503-29-9
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00136699
IUPAC Name:
benzyl N-(1-amino-1-oxopropan-2-yl)carbamate
InChI:
InChI=1S/C11H14N2O3/c1-8(10(12)14)13-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15)
InChI Key:
CTZZSWNVVFTJRN-UHFFFAOYSA-N
SMILES:
CC(C(=O)N)NC(=O)OCc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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