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2313-96-4 | Carbamic acid, formylmethyl-, 1-naphthalenyl ester (9CI)
CAS No: 2313-96-4 Catalog No: AG002MAS MDL No:
Product Description
Catalog Number:
AG002MAS
Chemical Name:
Carbamic acid, formylmethyl-, 1-naphthalenyl ester (9CI)
CAS Number:
2313-96-4
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
naphthalen-1-yl N-formyl-N-methylcarbamate
InChI:
InChI=1S/C13H11NO3/c1-14(9-15)13(16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChI Key:
VSBSKWKIFUMGGI-UHFFFAOYSA-N
SMILES:
O=CCNC(=O)Oc1cccc2c1cccc2
NSC Number:
90028
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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