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20131-88-8 | Carbamic acid, N-(4-formylphenyl)-, 1-methylethyl ester
CAS No: 20131-88-8 Catalog No: AG002DBS MDL No:
Product Description
Catalog Number:
AG002DBS
Chemical Name:
Carbamic acid, N-(4-formylphenyl)-, 1-methylethyl ester
CAS Number:
20131-88-8
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
propan-2-yl N-(4-formylphenyl)carbamate
InChI:
InChI=1S/C11H13NO3/c1-8(2)15-11(14)12-10-5-3-9(7-13)4-6-10/h3-8H,1-2H3,(H,12,14)
InChI Key:
VINSZPYDAITOBY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)NC(=O)OC(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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